dimethyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)piperidine-1,2-dicarboxylate

C29H41NO7Si — CID 10840256

IUPACdimethyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)piperidine-1,2-dicarboxylate
SMILESCOCO[C@H]1CC[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC)[C@H]1C(=O)OC
InChIInChI=1S/C29H41NO7Si/c1-29(2,3)38(23-13-9-7-10-14-23,24-15-11-8-12-16-24)37-20-19-22-17-18-25(36-21-33-4)26(27(31)34-5)30(22)28(32)35-6/h7-16,22,25-26H,17-21H2,1-6H3/t22-,25-,26+/m0/s1
InChIKeyCXFBXZHPULASPF-UCGXPXSYSA-N
MW543.73 g/mol
LogP3.71
Rot. Bonds10

About dimethyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)piperidine-1,2-dicarboxylate

dimethyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)piperidine-1,2-dicarboxylate (PubChem CID 10840256) has the molecular formula C29H41NO7Si and a molecular weight of 543.73 g/mol. Its IUPAC name is dimethyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)piperidine-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)piperidine-1,2-dicarboxylate
PubChem CID10840256
Molecular FormulaC29H41NO7Si
Molecular Weight543.73 g/mol
Exact Mass543.27
IUPAC Namedimethyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)piperidine-1,2-dicarboxylate
SMILESCOCO[C@H]1CC[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC)[C@H]1C(=O)OC
InChIInChI=1S/C29H41NO7Si/c1-29(2,3)38(23-13-9-7-10-14-23,24-15-11-8-12-16-24)37-20-19-22-17-18-25(36-21-33-4)26(27(31)34-5)30(22)28(32)35-6/h7-16,22,25-26H,17-21H2,1-6H3/t22-,25-,26+/m0/s1
InChIKeyCXFBXZHPULASPF-UCGXPXSYSA-N
XLogP3.71
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.73
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

dimethyl (2R,3S,5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-5-propylpiperidine-1,2-dicarboxylate
CID 11591931
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxy)piperidine-1-carboxylate
CID 134835662
[(2S,6R)-1-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-6-[(1R)-1-(2-methoxyethoxymethoxy)propyl]piperidin-2-yl]methyl acetate
CID 135025527
[(3R)-1-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[methyl(tetradecyl)amino]propoxy]decan-3-yl] dodecanoate
CID 57757077
1-O-tert-butyl 2-O-methyl (2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate
CID 170726767
1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate
CID 170939019
Tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formylpiperidine-1-carboxylate
CID 176127199
(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-1-methoxycarbonylpiperidine-2-carboxylic acid
CID 177911633
methyl (2S,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)-2-methylpiperidine-1-carboxylate
CID 10649039
methyl (2S,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(hydroxymethyl)-3-(methoxymethoxy)piperidine-1-carboxylate
CID 10744430
dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate
CID 10768838
methyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-formyl-3-(methoxymethoxy)piperidine-1-carboxylate
CID 10839520

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)piperidine-1,2-dicarboxylate?
The IUPAC name of dimethyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)piperidine-1,2-dicarboxylate (CID 10840256) is dimethyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)piperidine-1,2-dicarboxylate.
What is the SMILES notation for dimethyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)piperidine-1,2-dicarboxylate?
The canonical SMILES for dimethyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)piperidine-1,2-dicarboxylate is COCO[C@H]1CC[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC)[C@H]1C(=O)OC.
What is the InChIKey of dimethyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)piperidine-1,2-dicarboxylate?
The InChIKey is CXFBXZHPULASPF-UCGXPXSYSA-N. The full InChI is InChI=1S/C29H41NO7Si/c1-29(2,3)38(23-13-9-7-10-14-23,24-15-11-8-12-16-24)37-20-19-22-17-18-25(36-21-33-4)26(27(31)34-5)30(22)28(32)35-6/h7-16,22,25-26H,17-21H2,1-6H3/t22-,25-,26+/m0/s1.
What are the key properties of dimethyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)piperidine-1,2-dicarboxylate?
dimethyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)piperidine-1,2-dicarboxylate has a molecular weight of 543.73 g/mol, XLogP of 3.71, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)piperidine-1,2-dicarboxylate is sourced from PubChem (CID 10840256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).